5NRS

Human DNMT3B PWWP domain in complex with N,N-bis(2-hydroxypropyl)ethanolamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 32 2 1
Unit cell lengths	74.930, 74.930, 157.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.810 - 2.300
R-factor	0.1977
Rwork	0.195
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkj
RMSD bond length	0.008
RMSD bond angle	1.164
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.810	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.050	0.893
Number of reflections	23390
<I/σ(I)>	24.8	1.89
Completeness [%]	99.5	96.9
Redundancy	9.3	7.2
CC(1/2)	0.999	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES,0.2 M Li2SO4, 23-33% PEG 3350